Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.52 |
| ▸ | CCNC | P24863 | 1/20 | 0.49 |
| ▸ | CDK8 | P49336 | 1/20 | 0.49 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.49 |
| ▸ | LRRK2 | Q5S007 | 4/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2434846 | 0.97 | ALDH1A1 (0.56) | ALDH1A1KDM4EPOLBRXFP1CCNC | |
| SCHEMBL4918827 | 0.76 | GABRG2 (0.52) | POLBCCNCCDK8CDK19LRRK2 | |
| SCHEMBL6799646 | 0.72 | KDM4E (0.60) | ALDH1A1KDM4EPOLBRXFP1LRRK2 | |
| SCHEMBL2430314 | 0.72 | ALDH1A1 (0.33) | ALDH1A1KDM4EPOLBRXFP1LRRK2 | |
| SCHEMBL7452775 | 0.72 | CCNC (0.38) | ALDH1A1KDM4EPOLBRXFP1CCNC | |
| SCHEMBL25625612 | 0.70 | ALDH1A1 (0.57) | ALDH1A1KDM4EPOLBRXFP1LRRK2 | |
| SCHEMBL7464492 | 0.70 | ALDH1A1 (0.57) | ALDH1A1KDM4EPOLBRXFP1CCNC | |
| SCHEMBL7464487 | 0.70 | KDM4E (0.65) | ALDH1A1KDM4EPOLBRXFP1CCNC | |
| SCHEMBL18533423 | 0.70 | CCNC (0.50) | CCNCCDK8CDK19 | |
| SCHEMBL8279348 | 0.69 | KDM4E (0.78) | ALDH1A1KDM4EPOLBRXFP1CCNC |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0937072-B1 | THIENYLCYCLOHEXANONE DERIVATIVES AS LIGANDS OF THE GABA A alpha5 RECEPTOR SUBTYPE | MERCK SHARP & DOHME (GB) | 2002-01-09 | — | — | EP | disclosed |
| US-6262103-B1 | ALZHEIMER'S DISEASE. | MERCK SHARP & DOHME LIMITED (GB) | 2001-07-17 | — | — | US | disclosed |
| EP-0937072-A1 | THIENYLCYCLOHEXANONE DERIVATIVES AS LIGANDS OF THE GABA A? $g(a)5 RECEPTOR SUBTYPE | MERCK SHARP & DOHME LTD. (GB) | 1999-08-25 | — | — | EP | disclosed |
| WO-1998018792-A1 | THIENYLCYCLOHEXANONE DERIVATIVES AS LIGANDS OF THE GABAA α5 RECEPTOR SUBTYPE | MERCK SHARP & DOHME LIMITED (GB) | 1998-05-07 | — | — | WO | disclosed |